[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C17H26N2O3S/c1-16(2,3)11-17(4,5)19-13(20)10-22-15(21)12-8-7-9-18-14(12)23-6/h7-9H,10-11H2,1-6H3,(H,19,20)